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5PC6
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PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 27)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PCH
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BU of 5pch by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 38)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
9BDH
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BU of 9bdh by Molmil
Crystal structure of HIV-1 MPER scaffold in complex with antibody Fab Ab45.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 45.1 Heavy Chain, Fab 45.1 Light Chain, ...
著者Lee, C.C.D, Wilson, I.A.
登録日2024-04-11
公開日2025-02-19
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Affinity gaps among B cells in germinal centers drive the selection of MPER precursors.
Nat.Immunol., 25, 2024
5PDD
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BU of 5pdd by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 69)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PDT
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BU of 5pdt by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 86)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PE7
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BU of 5pe7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 100)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
7C3S
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BU of 7c3s by Molmil
Crystal structure of NE0047 (E143D) mutant in complex with 8-azaguanine
分子名称: 1,2-ETHANEDIOL, 5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL, Cytidine and deoxycytidylate deaminase zinc-binding region, ...
著者Gaded, V, Bitra, A, Singh, J, Anand, R.
登録日2020-05-14
公開日2021-05-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structure guided mutagenesis reveals the substrate determinants of guanine deaminase.
J.Struct.Biol., 213, 2021
5PEH
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BU of 5peh by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 110)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
4PA5
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BU of 4pa5 by Molmil
Tgl - a bacterial spore coat transglutaminase - cystamine complex
分子名称: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, CITRATE ANION, ...
著者Brito, J.A, Placido, D, Fernandes, C.G, Lousa, D, Isidro, A, Soares, C.M, Pohl, J, Carrondo, M.A, Henriques, A.O, Archer, M.
登録日2014-04-07
公開日2015-09-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural and Functional Characterization of an Ancient Bacterial Transglutaminase Sheds Light on the Minimal Requirements for Protein Cross-Linking.
Biochemistry, 54, 2015
4ECY
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BU of 4ecy by Molmil
Human DNA polymerase eta - DNA ternary complex: AT crystal at pH 6.0 (Na+ MES) with 1 Ca2+ ion
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
著者Nakamura, T, Zhao, Y, Yang, W.
登録日2012-03-26
公開日2012-07-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.943 Å)
主引用文献Watching DNA polymerase eta make a phosphodiester bond
Nature, 487, 2012
9SL9
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BU of 9sl9 by Molmil
Structure of recombinant human butyrylcholinesterase in complex with (2S, 3R)-2-(pyridin-3-ylmethyl)quinuclidin-3-yl phenylcarbamate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brazzolotto, X, Mastnak-Sokolov, P, Nachon, F, Gobec, S.
登録日2025-09-03
公開日2025-11-26
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Dual cholinergic modulation in dementia: Quinuclidine carbamates targeting butyrylcholinesterase and alpha 7 nicotinic receptor.
Chem.Biol.Interact., 423, 2025
3T3X
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BU of 3t3x by Molmil
1.57 A structure of Friedreich's ataxia frataxin variant R165C
分子名称: Frataxin, mitochondrial, SULFATE ION
著者Bridwell-Rabb, J, Winn, A.M, Barondeau, D.P.
登録日2011-07-25
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structure-Function Analysis of Friedreich's Ataxia Mutants Reveals Determinants of Frataxin Binding and Activation of the Fe-S Assembly Complex.
Biochemistry, 50, 2011
9QWK
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BU of 9qwk by Molmil
Crystal structure of S2c-a5b6 TCR in complex with CD1c
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Karuppiah, V, Rangel, V.L.
登録日2025-04-14
公開日2025-08-20
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献A CD1c lipid agnostic T cell receptor bispecific engager redirects T cells against CD1c + cells.
Front Immunol, 16, 2025
5YJO
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BU of 5yjo by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 4
分子名称: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
著者Baburajendran, N, Anna E, J.
登録日2017-10-11
公開日2018-10-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.135 Å)
主引用文献Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
1HXK
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BU of 1hxk by Molmil
GOLGI ALPHA-MANNOSIDASE II IN COMPLEX WITH DEOXYMANNOJIRIMICIN
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1-DEOXYMANNOJIRIMYCIN, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者van den Elsen, J.M.H, Kuntz, D.A, Rose, D.R.
登録日2001-01-16
公開日2002-01-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of Golgi alpha-mannosidase II: a target for inhibition of growth and metastasis of cancer cells.
EMBO J., 20, 2001
5YLT
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BU of 5ylt by Molmil
Crystal structure of SET7/9 in complex with a cyproheptadine derivative
分子名称: 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-6-ol, GLYCEROL, Histone-lysine N-methyltransferase SETD7, ...
著者Hirano, T, Fujiwara, T, Niwa, H, Hirano, M, Ohira, K, Okazaki, Y, Sato, S, Umehara, T, Maemoto, Y, Ito, A, Yoshida, M, Kagechika, H.
登録日2017-10-19
公開日2018-06-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Development of Novel Inhibitors for Histone Methyltransferase SET7/9 based on Cyproheptadine.
ChemMedChem, 13, 2018
1TTO
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BU of 1tto by Molmil
Crystal structure of the Rnase T1 variant R2
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, RNase T1
著者Hahn, U, Czaja, R, Perbandt, M, Betzel, C.
登録日2004-06-23
公開日2005-09-06
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Purine activity of RNase T1RV is further improved by substitution of Trp59 by tyrosine
Biochem.Biophys.Res.Commun., 336, 2005
5ONO
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BU of 5ono by Molmil
Crystal Structure of Ectoine Synthase from P. lautus
分子名称: (4S)-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, FE (III) ION, L-ectoine synthase
著者Bremer, E.
登録日2017-08-04
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Illuminating the catalytic core of ectoine synthase through structural and biochemical analysis.
Sci Rep, 9, 2019
4M8K
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BU of 4m8k by Molmil
Crystal structure of a putative GDSL-like lipase (BACUNI_00748) from Bacteroides uniformis ATCC 8492 at 1.90 A resolution
分子名称: ACETATE ION, CHLORIDE ION, hypothetical protein, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2013-08-13
公開日2013-08-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a hypothetical protein (BACUNI_00748) from Bacteroides uniformis ATCC 8492 at 1.90 A resolution
To be published
3KGK
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BU of 3kgk by Molmil
Crystal structure of ArsD
分子名称: Arsenical resistance operon trans-acting repressor arsD
著者Ye, J, Rosen, B.P.
登録日2009-10-29
公開日2010-02-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The 1.4 A crystal structure of the ArsD arsenic metallochaperone provides insights into its interaction with the ArsA ATPase.
Biochemistry, 49, 2010
3WD6
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BU of 3wd6 by Molmil
Crystal structure of Bombyx mori omega-class glutathione transferase in complex with GSH
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ...
著者Yamamoto, K, Suzuki, M, Higashiura, A, Nakagawa, A.
登録日2013-06-07
公開日2014-07-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Three-dimensional structure of a Bombyx mori Omega-class glutathione transferase.
Biochem.Biophys.Res.Commun., 438, 2013
5OS1
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BU of 5os1 by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 6-ethoxy-2-methyl-1,3-benzothiazole, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
2YDX
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BU of 2ydx by Molmil
Crystal structure of human S-adenosylmethionine synthetase 2, beta subunit
分子名称: 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, CALCIUM ION, METHIONINE ADENOSYLTRANSFERASE 2 SUBUNIT BETA, ...
著者Muniz, J.R.C, Shafqat, N, Pike, A.C.W, Yue, W.W, Vollmar, M, Papagriogriou, V, Roos, A, Gileadi, O, von Delft, F, Kavanagh, K.L, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U.
登録日2011-03-25
公開日2011-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Insight Into S-Adenosylmethionine Biosynthesis from the Crystal Structures of the Human Methionine Adenosyltransferase Catalytic and Regulatory Subunits.
Biochem.J., 452, 2013
7VB6
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BU of 7vb6 by Molmil
Crystal structure of hydroxynitrile lyase from Linum usitatissium complexed with (R)-2-hydroxy-2-methylbutanenitrile
分子名称: (2R)-2-methyl-2-oxidanyl-butanenitrile, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Zheng, D, Nakabayashi, M, Asano, Y.
登録日2021-08-30
公開日2022-02-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural characterization of Linum usitatissimum hydroxynitrile lyase: A new cyanohydrin decomposition mechanism involving a cyano-zinc complex.
J.Biol.Chem., 298, 2022
3T6E
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BU of 3t6e by Molmil
Crystal Structure of the Reaction Centre from Blastochloris viridis strain DSM 133 (ATCC 19567) substrain-94
分子名称: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
著者Roszak, A.W, Gardiner, A.T, Isaacs, N.W, Cogdell, R.J.
登録日2011-07-28
公開日2011-11-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献New insights into the structure of the reaction centre from Blastochloris viridis: evolution in the laboratory.
Biochem.J., 442, 2012

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